1-methyl-3-(pyren-1-ylmethyl)thiourea

Systemtic Name: 1-methyl-3-(pyren-1-ylmethyl)thiourea Openeye Name: 1-methyl-3-(pyren-1-ylmethyl)thiourea CAS Name: 1-methyl-3-(1-pyrenylmethyl)thiourea IUPAC Name: 1-methyl-3-(pyren-1-ylmethyl)thiourea Traditional Name: 1-methyl-3-(pyren-1-ylmethyl)thiourea Formula: C19H16N2S MolecularWeight: 304.40874

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CNC(=S)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C19H16N2S/c1-20-19(22)21-11-15-8-7-14-6-5-12-3-2-4-13-9-10-16(15)18(14)17(12)13/h2-10H,11H2,1H3,(H2,20,21,22)